smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc2c3c1cccc3[C@@H]1C[C@@H](C(=O)OCCO)C[N@@H+](C)[C@@H]1C2 ZINC000040676555 213366615 /nfs/dbraw/zinc/36/66/15/213366615.db2.gz KZQKCTXYGGRARK-UKPHBRMFSA-N 1 1 328.412 1.674 1 10 EDCFMO COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1OC(=O)Nc1ccc(N)cc1)[N@H+]2C ZINC000027769586 202160491 /nfs/dbraw/zinc/16/04/91/202160491.db2.gz CYBZNQQOIMXQCO-CBBWQLFWSA-N 1 1 333.388 1.842 1 10 EDCFMO